Geometry & MOs

Info

ID:	219999
PubChem CID:	85165129
Reduced:	NO5C39H67 (1)
Stoich.:	AB5C39D67 (1)
Weight, g/mol:	630.194856
ΔH_f, kcal/mol:	-345.27
Dipole, Da:	1.06
IP(EA), eV:	-9.33(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-benzoyloxy-2-[[3,4-diacetyloxy-5-(acetyloxymethyl)oxolan-2-yl]oxymethyl]-5-methoxyoxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)OCCCCCCNC(=O)OC(C)(C)C)C)C

DOS

IR

Vibrations